U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaSmO2 by Materials Project
Abstract
NaSmO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent SmO6 octahedra, corners with four equivalent NaO6 octahedra, edges with four equivalent NaO6 octahedra, and edges with eight equivalent SmO6 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. There are four shorter (2.38 Å) and two longer (3.02 Å) Na–O bond lengths. Sm3+ is bonded to six O2- atoms to form SmO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent SmO6 octahedra, edges with four equivalent SmO6 octahedra, and edges with eight equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. There are two shorter (2.37 Å) and four longer (2.38 Å) Sm–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent Na1+ and three equivalent Sm3+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent Na1+ and three equivalent Sm3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent Na1+ and three equivalentmore »
- Publication Date:
- Other Number(s):
- mp-754027
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Na-O-Sm; NaSmO2
- OSTI Identifier:
- 1289219
- DOI:
- https://doi.org/10.17188/1289219
Citation Formats
Materials Data on NaSmO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289219.
Materials Data on NaSmO2 by Materials Project. United States. doi:https://doi.org/10.17188/1289219
2020.
"Materials Data on NaSmO2 by Materials Project". United States. doi:https://doi.org/10.17188/1289219. https://www.osti.gov/servlets/purl/1289219. Pub date:Wed Jul 22 20:00:00 EDT 2020
@article{osti_1289219,
title = {Materials Data on NaSmO2 by Materials Project},
abstractNote = {NaSmO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent SmO6 octahedra, corners with four equivalent NaO6 octahedra, edges with four equivalent NaO6 octahedra, and edges with eight equivalent SmO6 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. There are four shorter (2.38 Å) and two longer (3.02 Å) Na–O bond lengths. Sm3+ is bonded to six O2- atoms to form SmO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent SmO6 octahedra, edges with four equivalent SmO6 octahedra, and edges with eight equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. There are two shorter (2.37 Å) and four longer (2.38 Å) Sm–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent Na1+ and three equivalent Sm3+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent Na1+ and three equivalent Sm3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent Na1+ and three equivalent Sm3+ atoms. There are two shorter (2.38 Å) and one longer (3.02 Å) O–Na bond lengths. There are one shorter (2.37 Å) and two longer (2.38 Å) O–Sm bond lengths. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent Na1+ and three equivalent Sm3+ atoms. There are one shorter (2.37 Å) and two longer (2.38 Å) O–Sm bond lengths.},
doi = {10.17188/1289219},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}